≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCC(C(=O)OCC)Br |
|---|---|
| IUPAC Name | ethyl 2-bromohexanoate |
| InChIKey | KOUAQOCYMAENKN-UHFFFAOYSA-N |
| INCHI | 1S/C8H15BrO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6H2,1-2H3 |
| Isomeric SMILES | CCCCC(C(=O)OCC)Br |
| WGK Germany | 3 |
| UN Number | 3265 |
| Molecular Weight | 223.11 |
| Reaxy-Rn | 1704516 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1704516&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alkyl bromide - Alkyl halide - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2004132 | Certificate of Analysis | Nov 13, 2023 | E117976 |
| D2326479 | Certificate of Analysis | May 05, 2023 | E117976 |
| D2326528 | Certificate of Analysis | May 05, 2023 | E117976 |
| D2326550 | Certificate of Analysis | May 05, 2023 | E117976 |
| Refractive Index | 1.45 |
|---|---|
| Flash Point(°F) | 96 °C |
| Flash Point(°C) | 96°C |
| Boil Point(°C) | 213-215°C |
| Molecular Weight | 223.110 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 222.026 Da |
| Monoisotopic Mass | 222.026 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 115.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Guolin Wang, Qianhe Xu, Shuyi Zhang, Ying Han, Xili Lu, Xuefen Li, Xinhui Su, Zhenfeng Liu. (2025) Radiolabeling and Preclinical Evaluation of 2-[18F]Fluorohexanoic Acid: A Novel Medium-Chain Fatty Acid Metabolism Tracer for PET Imaging of Tumors. JOURNAL OF MEDICINAL CHEMISTRY, [PMID:40531657] [10.1021/acs.jmedchem.5c00535] |
